2-Methyl-2-[4-[2-[4-[1-(oxiran-2-yl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-Methyl-2-[4-[2-[4-[1-(oxiran-2-yl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propanoic acid
• 英文别名: 2-methyl-2-[4-[2-[4-[1-(oxiran-2-yl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propanoic acid
• 化学式: C₂₆H₃₁N₃O₃
• 分子量: 433.5
• InChiKey: NLADAUTYNKIFDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  70.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] A PROCESS FOR THE PREPARATION OF A DERIVATIVE OF 2-METHYL-2'-PHENYLPROPIONIC ACID USING NEW INTERMEDIATES<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'UN DÉRIVÉ D'ACIDE 2-MÉTHYL-2'-PHÉNYLPROPIONIQUE UTILISANT DE NOUVEAUX INTERMÉDIAIRES
  申请人：ZENTIVA KS

  公开号：WO2014026657A2

  公开（公告）日：2014-02-20

  The present invention deals with a preparation method of derivatives of methyl-2 '- phenylpropionic acid, e.g. the antihistamine bilastine of formula 9 that uses a new intermediate of formula 27 in the form of a base or salt. The intermediate reacts with a suitable alkylation reagent and with the use of auxiliary reagents, producing the ester of formula 16, wherein R stands for a C 1-C4 alkyl, which is subsequently alkali or acid hydrolyzed to bilastine. Formula 9, 27, 16